dibismuth;hexanitrate;pentahydrate

H10Bi2N6O23 — CID 158893805

IUPACdibismuth;hexanitrate;pentahydrate
SMILESO.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Bi+3]
InChIInChI=1S/2Bi.6NO3.5H2O/c;;6*2-1(3)4;;;;;/h;;;;;;;;5*1H2/q2*+3;6*-1;;;;;
InChIKeyJEOPYQYQUQWAAC-UHFFFAOYSA-N
MW880.06 g/mol
LogP-6.32
Rot. Bonds

About dibismuth;hexanitrate;pentahydrate

dibismuth;hexanitrate;pentahydrate (PubChem CID 158893805) has the molecular formula H10Bi2N6O23 and a molecular weight of 880.06 g/mol. Its IUPAC name is dibismuth;hexanitrate;pentahydrate.

Molecular Properties

Compound Namedibismuth;hexanitrate;pentahydrate
PubChem CID158893805
Molecular FormulaH10Bi2N6O23
Molecular Weight880.06 g/mol
Exact Mass879.94
IUPAC Namedibismuth;hexanitrate;pentahydrate
SMILESO.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Bi+3]
InChIInChI=1S/2Bi.6NO3.5H2O/c;;6*2-1(3)4;;;;;/h;;;;;;;;5*1H2/q2*+3;6*-1;;;;;
InChIKeyJEOPYQYQUQWAAC-UHFFFAOYSA-N
XLogP-6.32
TPSA554.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.06
LogP ≤ 5-6.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

platinum(2+);dinitrate;hydrate
CID 172723097
beryllium;nitrate;tetrahydrate
CID 19806872
bis(yttrium(3+));hexanitrate;heptahydrate
CID 139054016
ytterbium;nitrate;tetrahydrate
CID 18185938
holmium;nitrate;trihydrate
CID 173334305
cobalt;nitrate;tetrahydrate
CID 173115320
rhodium(3+);trinitrate;hexahydrate
CID 159957090
dysprosium(3+);trinitrate;pentahydrate
CID 91886635
sodium;nitrate;tetrahydrate
CID 162201136
erbium(3+);trinitrate;tetrahydrate
CID 172858515
calcium;nitrate;hexahydrate
CID 22138076
dicalcium;tetranitrate;tetrahydrate
CID 157337195

Frequently Asked Questions

What is the IUPAC name of dibismuth;hexanitrate;pentahydrate?
The IUPAC name of dibismuth;hexanitrate;pentahydrate (CID 158893805) is dibismuth;hexanitrate;pentahydrate.
What is the SMILES notation for dibismuth;hexanitrate;pentahydrate?
The canonical SMILES for dibismuth;hexanitrate;pentahydrate is O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Bi+3].
What is the InChIKey of dibismuth;hexanitrate;pentahydrate?
The InChIKey is JEOPYQYQUQWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2Bi.6NO3.5H2O/c;;6*2-1(3)4;;;;;/h;;;;;;;;5*1H2/q2*+3;6*-1;;;;;.
What are the key properties of dibismuth;hexanitrate;pentahydrate?
dibismuth;hexanitrate;pentahydrate has a molecular weight of 880.06 g/mol, XLogP of -6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;hexanitrate;pentahydrate is sourced from PubChem (CID 158893805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).